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Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller

Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

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Chemical structure C<sub>8</sub>H<sub>12</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 8

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₁₂N₂O₂
Molecular Weight	168.19 g/mol
Exact Mass	168.0899 Da
InChI	InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-10(3)9-6(7)2/h5H,4H2,1-3H3
InChIKey	UEOAHNKIDQAFPD-UHFFFAOYSA-N
SMILES	CCOC(=O)C1=CN(C)N=C1C
Number of Atoms	24
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	1.1

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